1-phenyl-2-(2-phenylphenyl)benzimidazole

C50H36N4 — CID 139044286

IUPAC1-phenyl-2-(2-phenylphenyl)benzimidazole
SMILESc1ccc(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/2C25H18N2/c2*1-3-11-19(12-4-1)21-15-7-8-16-22(21)25-26-23-17-9-10-18-24(23)27(25)20-13-5-2-6-14-20/h2*1-18H
InChIKeyXADHUXAYDOQOBZ-UHFFFAOYSA-N
MW692.87 g/mol
LogP12.72
Rot. Bonds6

About 1-phenyl-2-(2-phenylphenyl)benzimidazole

1-phenyl-2-(2-phenylphenyl)benzimidazole (PubChem CID 139044286) has the molecular formula C50H36N4 and a molecular weight of 692.87 g/mol. Its IUPAC name is 1-phenyl-2-(2-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-(2-phenylphenyl)benzimidazole
PubChem CID139044286
Molecular FormulaC50H36N4
Molecular Weight692.87 g/mol
Exact Mass692.29
IUPAC Name1-phenyl-2-(2-phenylphenyl)benzimidazole
SMILESc1ccc(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/2C25H18N2/c2*1-3-11-19(12-4-1)21-15-7-8-16-22(21)25-26-23-17-9-10-18-24(23)27(25)20-13-5-2-6-14-20/h2*1-18H
InChIKeyXADHUXAYDOQOBZ-UHFFFAOYSA-N
XLogP12.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.87
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-phenylphenyl)benzimidazole?
The IUPAC name of 1-phenyl-2-(2-phenylphenyl)benzimidazole (CID 139044286) is 1-phenyl-2-(2-phenylphenyl)benzimidazole.
What is the SMILES notation for 1-phenyl-2-(2-phenylphenyl)benzimidazole?
The canonical SMILES for 1-phenyl-2-(2-phenylphenyl)benzimidazole is c1ccc(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-2-(2-phenylphenyl)benzimidazole?
The InChIKey is XADHUXAYDOQOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18N2/c2*1-3-11-19(12-4-1)21-15-7-8-16-22(21)25-26-23-17-9-10-18-24(23)27(25)20-13-5-2-6-14-20/h2*1-18H.
What are the key properties of 1-phenyl-2-(2-phenylphenyl)benzimidazole?
1-phenyl-2-(2-phenylphenyl)benzimidazole has a molecular weight of 692.87 g/mol, XLogP of 12.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-phenylphenyl)benzimidazole is sourced from PubChem (CID 139044286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).